moints semi: failed to open half int file


Click here for full thread
Forum Vet
1:27:04 PM PDT - Tue, Jul 17th 2012
OK.

1. Could you try without setting scratchdisk

2. Could you try with an increased scratchdisk value

Bert


Quote:Ysun Jul 17th 12:06 pm
Quote:Bert Jul 16th 10:49 am
Yudong,

You may want to use the "memory" keyword and specify more memory, more then what gets set by default (increase stack). On the Cray the MP2 tries to keep integrals in memory (per Huub's comments), and it will need more than the small default memory for that.

Bert


Quote:Ysun Jul 12th 12:42 pm
Hi Huub,

I have tried NWChem 6.1.1 and still got the same error:

 moints_semi: failed to open half int file:: 0

Thanks,

Yudong

I have increased the memory to 2 gb. The same error still occurs with NWChem 6.1 and 6.1.1.

          Memory information

          ------------------



   heap     =   65536001 doubles =    500.0 Mbytes

   stack    =   65536001 doubles =    500.0 Mbytes

   global   =  131072000 doubles =   1000.0 Mbytes (distinct from heap & stack)

   total    =  262144002 doubles =   2000.0 Mbytes

   verify   = yes

   hardfail = no

... ...

moints_semi: failed to open half int file        0

moints_semi: failed to open half int file        0

moints_semi: failed to open half int file        0

moints_semi: failed to open half int file        0

... more

I wonder if my input can work on your systems.

Thanks,

Yudong